2-[(4-fluorophenyl)methylsulfanyl]-5-[(4-nitrophenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(4-nitrophenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-5-[(4-nitrophenyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[(4-fluorophenyl)methylthio]-4-hydroxy-5-[(4-nitrophenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-5-[(4-nitrophenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[(4-fluorobenzyl)thio]-4-hydroxy-5-(4-nitrobenzyl)-1H-pyrimidin-6-one Formula: C18H14FN3O4S MolecularWeight: 387.384863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(N=C(NC2=O)SCC3=CC=C(C=C3)F)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=C(N=C(NC2=O)SCC3=CC=C(C=C3)F)O)[N+](=O)[O-]

InChI

InChI=1S/C18H14FN3O4S/c19-13-5-1-12(2-6-13)10-27-18-20-16(23)15(17(24)21-18)9-11-3-7-14(8-4-11)22(25)26/h1-8H,9-10H2,(H2,20,21,23,24)